K216-7890 Screening compound: N-[2-(azepan-1-yl)ethyl]-2,3-diphenylquinoxaline-6-carboxamide

K216-7890 Screening compound: N-[2-(azepan-1-yl)ethyl]-2,3-diphenylquinoxaline-6-carboxamide
K216-7890 Screening compound: N-[2-(azepan-1-yl)ethyl]-2,3-diphenylquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-7890
N-[2-(azepan-1-yl)ethyl]-2,3-diphenylquinoxaline-6-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K216-7890

Molecular Formula

C29H30N4O (C29 H30 N4 O)

Compound Name

N-[2-(azepan-1-yl)ethyl]-2,3-diphenylquinoxaline-6-carboxamide

IUPAC name

N-[2-(azepan-1-yl)ethyl]-23-diphenylquinoxaline-6-carboxamide

SMILES

O=C(c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2cc1)NCCN1CCCCCC1

InChI

InChI=1S/C29H30N4O/c34-29(30-17-20-33-18-9-1-2-10-19-33)24-15-16-25-26(21-24)32-28(23-13-7-4-8-14-23)27(31-25)22-11-5-3-6-12-22/h3-8,11-16,21H,1-2,9-10,17-20H2,(H,30,34)

InChI Key

MOQFXWJUANEYLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.941

Distribution Coefficient, logD

3.964

Water Solubility, LogSw

-4.71

Polar Surface Area

46.738

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

K216-7890 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K216-7890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-7890?
Check Price and Availability of K216-7890, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K216-7890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-7890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-7890
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K216-7890 available by request